Geometry & MOs

Info

ID:	394832
PubChem CID:	135023895
Reduced:	O5H20C27 (1)
Stoich.:	A5B20C27 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	6.99
IP(EA), eV:	-9.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-cyano-4-(morpholine-4-carbonyl)benzamide

Drug info:

PubChemData

Smile

CC12C(C3C4=CC=CC=C4C1(C5=CC=CC=C35)COC(=O)C6=CC=CC=C6)C(=O)OC2=O

DOS

IR

Vibrations